USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 ASN : amide:sc= -0.854 K(o=-0.93,f=-0.43) USER MOD Set 1.2: A 52 ASN : amide:sc= -0.0735 X(o=-0.93,f=-0.99) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.2!) USER MOD Single : A 21 ASN : amide:sc=-0.00913 K(o=-0.0091,f=-1.1) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0254! USER MOD Single : A 25 CYS SG : rot 30:sc= 0.849 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 31 THR OG1 : rot 10:sc= 0.306! USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.079 (180deg=-0.733) USER MOD Single : A 46 THR OG1 : rot 93:sc= 0.0133 USER MOD Single : A 50 GLN : amide:sc= -0.719 K(o=-0.72,f=-0.16) USER MOD Single : A 57 SER OG : rot -82:sc= 0.579 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.764 1.144 11.324 1.00 0.00 N ATOM 2 CA ASP A 11 5.345 2.562 11.512 1.00 0.00 C ATOM 3 C ASP A 11 4.621 3.050 10.256 1.00 0.00 C ATOM 4 O ASP A 11 3.988 4.088 10.255 1.00 0.00 O ATOM 5 CB ASP A 11 6.581 3.429 11.758 1.00 0.00 C ATOM 6 CG ASP A 11 7.416 2.822 12.889 1.00 0.00 C ATOM 7 OD1 ASP A 11 8.264 1.996 12.594 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.192 3.194 14.029 1.00 0.00 O ATOM 0 HA ASP A 11 4.674 2.633 12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.177 3.497 10.848 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.280 4.444 12.018 1.00 0.00 H new ATOM 13 N LEU A 12 4.708 2.309 9.185 1.00 0.00 N ATOM 14 CA LEU A 12 4.027 2.725 7.927 1.00 0.00 C ATOM 15 C LEU A 12 2.551 2.306 7.993 1.00 0.00 C ATOM 16 O LEU A 12 2.220 1.328 8.633 1.00 0.00 O ATOM 17 CB LEU A 12 4.702 2.016 6.748 1.00 0.00 C ATOM 18 CG LEU A 12 6.139 2.530 6.574 1.00 0.00 C ATOM 19 CD1 LEU A 12 6.902 1.585 5.641 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.137 3.951 5.979 1.00 0.00 C ATOM 0 H LEU A 12 5.223 1.431 9.128 1.00 0.00 H new ATOM 0 HA LEU A 12 4.095 3.806 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.711 0.939 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.133 2.190 5.835 1.00 0.00 H new ATOM 0 HG LEU A 12 6.624 2.562 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.923 1.945 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.921 0.584 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.406 1.552 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.164 4.298 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.646 3.937 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.599 4.624 6.647 1.00 0.00 H new ATOM 32 N PRO A 13 1.666 3.030 7.335 1.00 0.00 N ATOM 33 CA PRO A 13 0.214 2.705 7.325 1.00 0.00 C ATOM 34 C PRO A 13 -0.033 1.186 7.347 1.00 0.00 C ATOM 35 O PRO A 13 0.823 0.414 6.964 1.00 0.00 O ATOM 36 CB PRO A 13 -0.274 3.316 6.002 1.00 0.00 C ATOM 37 CG PRO A 13 0.667 4.455 5.702 1.00 0.00 C ATOM 38 CD PRO A 13 1.947 4.237 6.537 1.00 0.00 C ATOM 0 HA PRO A 13 -0.306 3.092 8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.260 2.576 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.301 3.671 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.904 4.485 4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.205 5.410 5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.819 4.096 5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.155 5.095 7.176 1.00 0.00 H new ATOM 46 N PRO A 14 -1.188 0.754 7.783 1.00 0.00 N ATOM 47 CA PRO A 14 -1.523 -0.698 7.834 1.00 0.00 C ATOM 48 C PRO A 14 -1.614 -1.306 6.428 1.00 0.00 C ATOM 49 O PRO A 14 -1.986 -0.644 5.480 1.00 0.00 O ATOM 50 CB PRO A 14 -2.883 -0.743 8.552 1.00 0.00 C ATOM 51 CG PRO A 14 -3.475 0.612 8.333 1.00 0.00 C ATOM 52 CD PRO A 14 -2.298 1.587 8.274 1.00 0.00 C ATOM 0 HA PRO A 14 -0.759 -1.281 8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.522 -1.525 8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.763 -0.955 9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.051 0.640 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.157 0.874 9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.501 2.422 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.079 2.012 9.254 1.00 0.00 H new ATOM 60 N ASN A 15 -1.272 -2.560 6.290 1.00 0.00 N ATOM 61 CA ASN A 15 -1.334 -3.214 4.950 1.00 0.00 C ATOM 62 C ASN A 15 -0.377 -2.509 3.979 1.00 0.00 C ATOM 63 O ASN A 15 -0.631 -2.431 2.794 1.00 0.00 O ATOM 64 CB ASN A 15 -2.767 -3.141 4.411 1.00 0.00 C ATOM 65 CG ASN A 15 -3.752 -3.409 5.550 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.849 -4.518 6.036 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.490 -2.432 6.000 1.00 0.00 N ATOM 0 H ASN A 15 -0.952 -3.161 7.050 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.036 -4.258 5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.954 -2.159 3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.906 -3.873 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.149 -2.599 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.408 -1.501 5.591 1.00 0.00 H new ATOM 74 N LEU A 16 0.725 -2.002 4.475 1.00 0.00 N ATOM 75 CA LEU A 16 1.712 -1.307 3.587 1.00 0.00 C ATOM 76 C LEU A 16 3.128 -1.688 4.029 1.00 0.00 C ATOM 77 O LEU A 16 3.460 -1.619 5.196 1.00 0.00 O ATOM 78 CB LEU A 16 1.523 0.213 3.698 1.00 0.00 C ATOM 79 CG LEU A 16 2.640 0.953 2.943 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.720 0.452 1.495 1.00 0.00 C ATOM 81 CD2 LEU A 16 2.341 2.456 2.948 1.00 0.00 C ATOM 0 H LEU A 16 0.985 -2.039 5.460 1.00 0.00 H new ATOM 0 HA LEU A 16 1.557 -1.608 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.552 0.495 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.527 0.510 4.747 1.00 0.00 H new ATOM 0 HG LEU A 16 3.593 0.763 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.514 0.983 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.934 -0.617 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.769 0.634 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.130 2.986 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.385 2.638 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.295 2.814 3.976 1.00 0.00 H new ATOM 93 N TYR A 17 3.960 -2.102 3.103 1.00 0.00 N ATOM 94 CA TYR A 17 5.360 -2.504 3.457 1.00 0.00 C ATOM 95 C TYR A 17 6.352 -1.798 2.545 1.00 0.00 C ATOM 96 O TYR A 17 5.999 -0.945 1.757 1.00 0.00 O ATOM 97 CB TYR A 17 5.516 -4.006 3.250 1.00 0.00 C ATOM 98 CG TYR A 17 4.452 -4.720 4.027 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.172 -4.864 3.486 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.745 -5.232 5.290 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.178 -5.527 4.210 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.753 -5.897 6.021 1.00 0.00 C ATOM 103 CZ TYR A 17 2.467 -6.045 5.480 1.00 0.00 C ATOM 104 OH TYR A 17 1.487 -6.700 6.198 1.00 0.00 O ATOM 0 H TYR A 17 3.729 -2.179 2.113 1.00 0.00 H new ATOM 0 HA TYR A 17 5.552 -2.233 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.436 -4.250 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.503 -4.331 3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.951 -4.463 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.736 -5.116 5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.189 -5.640 3.792 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.977 -6.295 6.999 1.00 0.00 H new ATOM 0 HH TYR A 17 1.854 -6.997 7.057 1.00 0.00 H new ATOM 114 N ILE A 18 7.599 -2.174 2.640 1.00 0.00 N ATOM 115 CA ILE A 18 8.641 -1.553 1.766 1.00 0.00 C ATOM 116 C ILE A 18 9.664 -2.613 1.354 1.00 0.00 C ATOM 117 O ILE A 18 9.888 -3.581 2.052 1.00 0.00 O ATOM 118 CB ILE A 18 9.331 -0.394 2.503 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.072 0.484 1.484 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.333 -0.934 3.530 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.616 1.736 2.173 1.00 0.00 C ATOM 0 H ILE A 18 7.943 -2.885 3.285 1.00 0.00 H new ATOM 0 HA ILE A 18 8.167 -1.153 0.870 1.00 0.00 H new ATOM 0 HB ILE A 18 8.575 0.194 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.890 -0.078 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.397 0.767 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.813 -0.101 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.810 -1.555 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.090 -1.531 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.140 2.354 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.790 2.303 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.306 1.445 2.965 1.00 0.00 H new ATOM 133 N ARG A 19 10.276 -2.436 0.217 1.00 0.00 N ATOM 134 CA ARG A 19 11.282 -3.429 -0.265 1.00 0.00 C ATOM 135 C ARG A 19 12.676 -3.027 0.229 1.00 0.00 C ATOM 136 O ARG A 19 12.915 -1.889 0.581 1.00 0.00 O ATOM 137 CB ARG A 19 11.257 -3.447 -1.800 1.00 0.00 C ATOM 138 CG ARG A 19 11.787 -4.787 -2.319 1.00 0.00 C ATOM 139 CD ARG A 19 11.849 -4.756 -3.848 1.00 0.00 C ATOM 140 NE ARG A 19 10.576 -4.180 -4.399 1.00 0.00 N ATOM 141 CZ ARG A 19 9.412 -4.712 -4.137 1.00 0.00 C ATOM 142 NH1 ARG A 19 9.330 -5.857 -3.518 1.00 0.00 N ATOM 143 NH2 ARG A 19 8.322 -4.116 -4.537 1.00 0.00 N ATOM 0 H ARG A 19 10.123 -1.642 -0.405 1.00 0.00 H new ATOM 0 HA ARG A 19 11.044 -4.421 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.240 -3.287 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.864 -2.631 -2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.778 -4.981 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.140 -5.599 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.700 -4.158 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.000 -5.764 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 19 10.622 -3.352 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.179 -6.345 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.417 -6.264 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.381 -3.238 -5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.411 -4.528 -4.334 1.00 0.00 H new ATOM 157 N ASN A 20 13.600 -3.949 0.250 1.00 0.00 N ATOM 158 CA ASN A 20 14.974 -3.609 0.715 1.00 0.00 C ATOM 159 C ASN A 20 15.588 -2.595 -0.248 1.00 0.00 C ATOM 160 O ASN A 20 16.580 -1.961 0.049 1.00 0.00 O ATOM 161 CB ASN A 20 15.833 -4.875 0.746 1.00 0.00 C ATOM 162 CG ASN A 20 15.089 -5.979 1.499 1.00 0.00 C ATOM 163 OD1 ASN A 20 14.134 -5.712 2.201 1.00 0.00 O ATOM 164 ND2 ASN A 20 15.486 -7.216 1.381 1.00 0.00 N ATOM 0 H ASN A 20 13.463 -4.919 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 20 14.929 -3.183 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.057 -5.200 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.787 -4.668 1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.995 -7.959 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.288 -7.440 0.792 1.00 0.00 H new ATOM 171 N ASN A 21 14.999 -2.433 -1.402 1.00 0.00 N ATOM 172 CA ASN A 21 15.533 -1.460 -2.392 1.00 0.00 C ATOM 173 C ASN A 21 14.877 -0.097 -2.155 1.00 0.00 C ATOM 174 O ASN A 21 15.164 0.868 -2.833 1.00 0.00 O ATOM 175 CB ASN A 21 15.205 -1.951 -3.801 1.00 0.00 C ATOM 176 CG ASN A 21 15.924 -3.277 -4.063 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.987 -3.521 -3.529 1.00 0.00 O ATOM 178 ND2 ASN A 21 15.384 -4.149 -4.869 1.00 0.00 N ATOM 0 H ASN A 21 14.165 -2.938 -1.701 1.00 0.00 H new ATOM 0 HA ASN A 21 16.614 -1.368 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.128 -2.082 -3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.512 -1.208 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.855 -5.036 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.491 -3.944 -5.318 1.00 0.00 H new ATOM 185 N GLY A 22 14.000 -0.013 -1.188 1.00 0.00 N ATOM 186 CA GLY A 22 13.324 1.286 -0.892 1.00 0.00 C ATOM 187 C GLY A 22 12.053 1.425 -1.737 1.00 0.00 C ATOM 188 O GLY A 22 11.464 2.484 -1.810 1.00 0.00 O ATOM 0 H GLY A 22 13.722 -0.790 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.073 1.341 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.002 2.113 -1.102 1.00 0.00 H new ATOM 192 N TYR A 23 11.619 0.366 -2.369 1.00 0.00 N ATOM 193 CA TYR A 23 10.377 0.449 -3.196 1.00 0.00 C ATOM 194 C TYR A 23 9.171 0.183 -2.289 1.00 0.00 C ATOM 195 O TYR A 23 9.136 -0.782 -1.554 1.00 0.00 O ATOM 196 CB TYR A 23 10.435 -0.607 -4.321 1.00 0.00 C ATOM 197 CG TYR A 23 11.031 -0.002 -5.575 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.421 0.073 -5.727 1.00 0.00 C ATOM 199 CD2 TYR A 23 10.191 0.483 -6.583 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.970 0.633 -6.886 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.737 1.043 -7.743 1.00 0.00 C ATOM 202 CZ TYR A 23 12.128 1.119 -7.895 1.00 0.00 C ATOM 203 OH TYR A 23 12.668 1.671 -9.038 1.00 0.00 O ATOM 0 H TYR A 23 12.068 -0.550 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 23 10.289 1.437 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.034 -1.459 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.433 -0.982 -4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.070 -0.302 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.119 0.425 -6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.042 0.691 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.087 1.416 -8.521 1.00 0.00 H new ATOM 0 HH TYR A 23 11.946 1.957 -9.636 1.00 0.00 H new ATOM 213 N TYR A 24 8.183 1.035 -2.333 1.00 0.00 N ATOM 214 CA TYR A 24 6.987 0.833 -1.469 1.00 0.00 C ATOM 215 C TYR A 24 6.029 -0.152 -2.146 1.00 0.00 C ATOM 216 O TYR A 24 5.942 -0.212 -3.356 1.00 0.00 O ATOM 217 CB TYR A 24 6.285 2.176 -1.267 1.00 0.00 C ATOM 218 CG TYR A 24 7.077 3.016 -0.290 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.072 2.692 1.071 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.816 4.116 -0.745 1.00 0.00 C ATOM 221 CE1 TYR A 24 7.803 3.468 1.979 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.547 4.892 0.162 1.00 0.00 C ATOM 223 CZ TYR A 24 8.540 4.568 1.524 1.00 0.00 C ATOM 224 OH TYR A 24 9.262 5.332 2.419 1.00 0.00 O ATOM 0 H TYR A 24 8.153 1.862 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 24 7.292 0.430 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.193 2.697 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.274 2.017 -0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.504 1.843 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.822 4.365 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.798 3.218 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.116 5.740 -0.189 1.00 0.00 H new ATOM 0 HH TYR A 24 9.897 5.896 1.930 1.00 0.00 H new ATOM 234 N CYS A 25 5.311 -0.931 -1.377 1.00 0.00 N ATOM 235 CA CYS A 25 4.363 -1.915 -1.984 1.00 0.00 C ATOM 236 C CYS A 25 3.183 -2.154 -1.036 1.00 0.00 C ATOM 237 O CYS A 25 3.357 -2.398 0.141 1.00 0.00 O ATOM 238 CB CYS A 25 5.090 -3.239 -2.231 1.00 0.00 C ATOM 239 SG CYS A 25 5.426 -4.049 -0.647 1.00 0.00 S ATOM 0 H CYS A 25 5.340 -0.929 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 25 3.992 -1.518 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.482 -3.888 -2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.023 -3.059 -2.765 1.00 0.00 H new ATOM 0 HG CYS A 25 4.499 -3.732 0.208 1.00 0.00 H new ATOM 245 N TYR A 26 1.978 -2.090 -1.547 1.00 0.00 N ATOM 246 CA TYR A 26 0.772 -2.314 -0.689 1.00 0.00 C ATOM 247 C TYR A 26 0.308 -3.765 -0.838 1.00 0.00 C ATOM 248 O TYR A 26 0.479 -4.372 -1.877 1.00 0.00 O ATOM 249 CB TYR A 26 -0.345 -1.371 -1.148 1.00 0.00 C ATOM 250 CG TYR A 26 -1.512 -1.449 -0.192 1.00 0.00 C ATOM 251 CD1 TYR A 26 -2.514 -2.406 -0.389 1.00 0.00 C ATOM 252 CD2 TYR A 26 -1.595 -0.558 0.885 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.600 -2.474 0.492 1.00 0.00 C ATOM 254 CE2 TYR A 26 -2.681 -0.626 1.766 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.684 -1.584 1.570 1.00 0.00 C ATOM 256 OH TYR A 26 -4.756 -1.649 2.438 1.00 0.00 O ATOM 0 H TYR A 26 1.777 -1.891 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 26 1.016 -2.117 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.028 -0.348 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.669 -1.640 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.450 -3.092 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.822 0.181 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.373 -3.213 0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.745 0.061 2.597 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.659 -0.962 3.130 1.00 0.00 H new ATOM 266 N ARG A 27 -0.275 -4.330 0.196 1.00 0.00 N ATOM 267 CA ARG A 27 -0.750 -5.754 0.127 1.00 0.00 C ATOM 268 C ARG A 27 -2.270 -5.811 0.267 1.00 0.00 C ATOM 269 O ARG A 27 -2.823 -5.457 1.288 1.00 0.00 O ATOM 270 CB ARG A 27 -0.119 -6.553 1.269 1.00 0.00 C ATOM 271 CG ARG A 27 -0.594 -8.018 1.209 1.00 0.00 C ATOM 272 CD ARG A 27 0.446 -8.936 1.863 1.00 0.00 C ATOM 273 NE ARG A 27 1.551 -9.194 0.897 1.00 0.00 N ATOM 274 CZ ARG A 27 2.679 -9.697 1.317 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.842 -9.963 2.584 1.00 0.00 N ATOM 276 NH2 ARG A 27 3.644 -9.933 0.470 1.00 0.00 N ATOM 0 H ARG A 27 -0.443 -3.865 1.088 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.460 -6.176 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.968 -6.511 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.392 -6.112 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.552 -8.119 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.752 -8.315 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.839 -8.473 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.018 -9.876 2.162 1.00 0.00 H new ATOM 0 HE ARG A 27 1.425 -8.977 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.088 -9.778 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.724 -10.356 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.516 -9.724 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.526 -10.326 0.798 1.00 0.00 H new ATOM 290 N ASP A 28 -2.947 -6.268 -0.751 1.00 0.00 N ATOM 291 CA ASP A 28 -4.434 -6.363 -0.671 1.00 0.00 C ATOM 292 C ASP A 28 -4.813 -7.553 0.235 1.00 0.00 C ATOM 293 O ASP A 28 -4.206 -8.602 0.144 1.00 0.00 O ATOM 294 CB ASP A 28 -5.002 -6.594 -2.075 1.00 0.00 C ATOM 295 CG ASP A 28 -4.934 -5.294 -2.877 1.00 0.00 C ATOM 296 OD1 ASP A 28 -4.247 -4.386 -2.439 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.571 -5.227 -3.916 1.00 0.00 O ATOM 0 H ASP A 28 -2.537 -6.579 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.843 -5.440 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.437 -7.376 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.034 -6.938 -2.008 1.00 0.00 H new ATOM 302 N PRO A 29 -5.801 -7.415 1.098 1.00 0.00 N ATOM 303 CA PRO A 29 -6.228 -8.526 2.002 1.00 0.00 C ATOM 304 C PRO A 29 -7.127 -9.548 1.293 1.00 0.00 C ATOM 305 O PRO A 29 -7.536 -10.536 1.872 1.00 0.00 O ATOM 306 CB PRO A 29 -7.006 -7.798 3.100 1.00 0.00 C ATOM 307 CG PRO A 29 -7.629 -6.636 2.398 1.00 0.00 C ATOM 308 CD PRO A 29 -6.622 -6.203 1.323 1.00 0.00 C ATOM 0 HA PRO A 29 -5.381 -9.106 2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.761 -8.444 3.548 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.348 -7.471 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.582 -6.916 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.831 -5.822 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.124 -5.885 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.013 -5.364 1.660 1.00 0.00 H new ATOM 316 N ARG A 30 -7.447 -9.315 0.048 1.00 0.00 N ATOM 317 CA ARG A 30 -8.328 -10.268 -0.690 1.00 0.00 C ATOM 318 C ARG A 30 -7.476 -11.358 -1.343 1.00 0.00 C ATOM 319 O ARG A 30 -7.691 -12.535 -1.127 1.00 0.00 O ATOM 320 CB ARG A 30 -9.101 -9.512 -1.771 1.00 0.00 C ATOM 321 CG ARG A 30 -10.070 -10.468 -2.472 1.00 0.00 C ATOM 322 CD ARG A 30 -11.108 -9.662 -3.253 1.00 0.00 C ATOM 323 NE ARG A 30 -11.969 -8.909 -2.297 1.00 0.00 N ATOM 324 CZ ARG A 30 -12.720 -7.932 -2.724 1.00 0.00 C ATOM 325 NH1 ARG A 30 -12.718 -7.612 -3.990 1.00 0.00 N ATOM 326 NH2 ARG A 30 -13.472 -7.273 -1.885 1.00 0.00 N ATOM 0 H ARG A 30 -7.137 -8.506 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.028 -10.727 0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.651 -8.682 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.408 -9.084 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.523 -11.127 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.565 -11.104 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.611 -8.971 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.718 -10.328 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.971 -9.158 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.129 -8.126 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.305 -6.848 -4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.472 -7.522 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.060 -6.509 -2.218 1.00 0.00 H new ATOM 340 N THR A 31 -6.510 -10.976 -2.139 1.00 0.00 N ATOM 341 CA THR A 31 -5.636 -11.985 -2.814 1.00 0.00 C ATOM 342 C THR A 31 -4.292 -12.050 -2.087 1.00 0.00 C ATOM 343 O THR A 31 -3.419 -12.818 -2.440 1.00 0.00 O ATOM 344 CB THR A 31 -5.406 -11.564 -4.268 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.225 -12.185 -4.756 1.00 0.00 O ATOM 346 CG2 THR A 31 -5.255 -10.044 -4.345 1.00 0.00 C ATOM 0 H THR A 31 -6.287 -10.004 -2.352 1.00 0.00 H new ATOM 0 HA THR A 31 -6.116 -12.963 -2.789 1.00 0.00 H new ATOM 0 HB THR A 31 -6.257 -11.872 -4.875 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.917 -12.855 -4.110 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.091 -9.747 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.161 -9.569 -3.970 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.404 -9.732 -3.739 1.00 0.00 H new ATOM 354 N GLY A 32 -4.122 -11.250 -1.071 1.00 0.00 N ATOM 355 CA GLY A 32 -2.838 -11.266 -0.317 1.00 0.00 C ATOM 356 C GLY A 32 -1.681 -10.931 -1.259 1.00 0.00 C ATOM 357 O GLY A 32 -0.528 -10.977 -0.880 1.00 0.00 O ATOM 0 H GLY A 32 -4.817 -10.586 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.876 -10.544 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.681 -12.247 0.132 1.00 0.00 H new ATOM 361 N LYS A 33 -1.976 -10.597 -2.487 1.00 0.00 N ATOM 362 CA LYS A 33 -0.887 -10.267 -3.445 1.00 0.00 C ATOM 363 C LYS A 33 -0.300 -8.894 -3.086 1.00 0.00 C ATOM 364 O LYS A 33 -0.735 -8.255 -2.151 1.00 0.00 O ATOM 365 CB LYS A 33 -1.468 -10.253 -4.882 1.00 0.00 C ATOM 366 CG LYS A 33 -0.666 -11.185 -5.801 1.00 0.00 C ATOM 367 CD LYS A 33 0.735 -10.608 -6.032 1.00 0.00 C ATOM 368 CE LYS A 33 1.394 -11.331 -7.208 1.00 0.00 C ATOM 369 NZ LYS A 33 1.025 -12.775 -7.172 1.00 0.00 N ATOM 0 H LYS A 33 -2.922 -10.539 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.094 -11.013 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.512 -10.566 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.447 -9.238 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.592 -12.176 -5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.182 -11.303 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.671 -9.539 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.341 -10.724 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.072 -10.886 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.477 -11.220 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.689 -13.318 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.068 -13.120 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.059 -12.896 -7.539 1.00 0.00 H new ATOM 383 N GLU A 34 0.688 -8.443 -3.824 1.00 0.00 N ATOM 384 CA GLU A 34 1.318 -7.114 -3.535 1.00 0.00 C ATOM 385 C GLU A 34 1.059 -6.151 -4.695 1.00 0.00 C ATOM 386 O GLU A 34 0.616 -6.541 -5.758 1.00 0.00 O ATOM 387 CB GLU A 34 2.829 -7.297 -3.363 1.00 0.00 C ATOM 388 CG GLU A 34 3.103 -8.270 -2.210 1.00 0.00 C ATOM 389 CD GLU A 34 2.867 -9.707 -2.681 1.00 0.00 C ATOM 390 OE1 GLU A 34 3.260 -10.017 -3.794 1.00 0.00 O ATOM 391 OE2 GLU A 34 2.298 -10.473 -1.921 1.00 0.00 O ATOM 0 H GLU A 34 1.087 -8.942 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 34 0.886 -6.704 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.266 -7.679 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.301 -6.336 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.129 -8.155 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.452 -8.042 -1.366 1.00 0.00 H new ATOM 398 N PHE A 35 1.341 -4.889 -4.494 1.00 0.00 N ATOM 399 CA PHE A 35 1.128 -3.873 -5.571 1.00 0.00 C ATOM 400 C PHE A 35 2.315 -2.904 -5.569 1.00 0.00 C ATOM 401 O PHE A 35 2.525 -2.167 -4.629 1.00 0.00 O ATOM 402 CB PHE A 35 -0.176 -3.099 -5.292 1.00 0.00 C ATOM 403 CG PHE A 35 -1.351 -3.807 -5.933 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.864 -4.976 -5.358 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.923 -3.292 -7.102 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.950 -5.630 -5.954 1.00 0.00 C ATOM 407 CE2 PHE A 35 -3.009 -3.945 -7.698 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.523 -5.114 -7.124 1.00 0.00 C ATOM 0 H PHE A 35 1.713 -4.515 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 35 1.051 -4.363 -6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.335 -3.015 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.096 -2.084 -5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.423 -5.373 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.526 -2.390 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.346 -6.532 -5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.450 -3.547 -8.600 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.361 -5.618 -7.583 1.00 0.00 H new ATOM 418 N GLY A 36 3.092 -2.903 -6.617 1.00 0.00 N ATOM 419 CA GLY A 36 4.268 -1.987 -6.675 1.00 0.00 C ATOM 420 C GLY A 36 3.799 -0.549 -6.912 1.00 0.00 C ATOM 421 O GLY A 36 3.092 -0.267 -7.858 1.00 0.00 O ATOM 0 H GLY A 36 2.964 -3.497 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.832 -2.046 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.941 -2.296 -7.475 1.00 0.00 H new ATOM 425 N LEU A 37 4.191 0.365 -6.055 1.00 0.00 N ATOM 426 CA LEU A 37 3.775 1.795 -6.216 1.00 0.00 C ATOM 427 C LEU A 37 4.956 2.618 -6.735 1.00 0.00 C ATOM 428 O LEU A 37 4.842 3.361 -7.689 1.00 0.00 O ATOM 429 CB LEU A 37 3.338 2.353 -4.854 1.00 0.00 C ATOM 430 CG LEU A 37 2.485 1.317 -4.122 1.00 0.00 C ATOM 431 CD1 LEU A 37 1.994 1.909 -2.800 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.281 0.935 -4.989 1.00 0.00 C ATOM 0 H LEU A 37 4.785 0.180 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 37 2.948 1.853 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.214 2.605 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.770 3.273 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 37 3.084 0.428 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.385 1.173 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.850 2.179 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.396 2.798 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.675 0.196 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.680 1.822 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.630 0.514 -5.932 1.00 0.00 H new ATOM 444 N GLY A 38 6.089 2.493 -6.102 1.00 0.00 N ATOM 445 CA GLY A 38 7.290 3.264 -6.534 1.00 0.00 C ATOM 446 C GLY A 38 8.166 3.538 -5.312 1.00 0.00 C ATOM 447 O GLY A 38 8.119 2.821 -4.332 1.00 0.00 O ATOM 0 H GLY A 38 6.236 1.885 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.850 2.702 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.989 4.202 -7.000 1.00 0.00 H new ATOM 451 N ARG A 39 8.966 4.573 -5.363 1.00 0.00 N ATOM 452 CA ARG A 39 9.859 4.913 -4.208 1.00 0.00 C ATOM 453 C ARG A 39 9.368 6.206 -3.548 1.00 0.00 C ATOM 454 O ARG A 39 10.019 6.757 -2.683 1.00 0.00 O ATOM 455 CB ARG A 39 11.292 5.122 -4.717 1.00 0.00 C ATOM 456 CG ARG A 39 11.681 4.023 -5.751 1.00 0.00 C ATOM 457 CD ARG A 39 11.849 4.632 -7.152 1.00 0.00 C ATOM 458 NE ARG A 39 10.730 5.576 -7.427 1.00 0.00 N ATOM 459 CZ ARG A 39 10.833 6.440 -8.400 1.00 0.00 C ATOM 460 NH1 ARG A 39 11.917 6.481 -9.125 1.00 0.00 N ATOM 461 NH2 ARG A 39 9.853 7.266 -8.643 1.00 0.00 N ATOM 0 H ARG A 39 9.041 5.204 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 39 9.840 4.100 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.379 6.106 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.987 5.100 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.609 3.541 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.913 3.250 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.803 5.154 -7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.864 3.842 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 39 9.885 5.547 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.685 5.838 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.997 7.156 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.008 7.236 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.932 7.942 -9.403 1.00 0.00 H new ATOM 475 N ASP A 40 8.236 6.703 -3.966 1.00 0.00 N ATOM 476 CA ASP A 40 7.711 7.976 -3.381 1.00 0.00 C ATOM 477 C ASP A 40 6.763 7.673 -2.216 1.00 0.00 C ATOM 478 O ASP A 40 5.616 7.324 -2.404 1.00 0.00 O ATOM 479 CB ASP A 40 6.951 8.750 -4.462 1.00 0.00 C ATOM 480 CG ASP A 40 7.917 9.151 -5.578 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.856 9.875 -5.291 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.701 8.728 -6.702 1.00 0.00 O ATOM 0 H ASP A 40 7.649 6.284 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 40 8.547 8.570 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.147 8.136 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.488 9.638 -4.031 1.00 0.00 H new ATOM 487 N ARG A 41 7.246 7.822 -1.012 1.00 0.00 N ATOM 488 CA ARG A 41 6.402 7.565 0.192 1.00 0.00 C ATOM 489 C ARG A 41 5.172 8.478 0.158 1.00 0.00 C ATOM 490 O ARG A 41 4.176 8.222 0.805 1.00 0.00 O ATOM 491 CB ARG A 41 7.243 7.866 1.439 1.00 0.00 C ATOM 492 CG ARG A 41 6.416 7.643 2.704 1.00 0.00 C ATOM 493 CD ARG A 41 7.275 7.932 3.935 1.00 0.00 C ATOM 494 NE ARG A 41 8.529 7.126 3.877 1.00 0.00 N ATOM 495 CZ ARG A 41 9.535 7.428 4.654 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.445 8.439 5.474 1.00 0.00 N ATOM 497 NH2 ARG A 41 10.631 6.721 4.611 1.00 0.00 N ATOM 0 H ARG A 41 8.202 8.115 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 41 6.068 6.528 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.124 7.225 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.599 8.896 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.541 8.293 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.051 6.617 2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.516 8.994 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.720 7.692 4.842 1.00 0.00 H new ATOM 0 HE ARG A 41 8.601 6.340 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.589 8.993 5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.230 8.675 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.703 5.931 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.415 6.958 5.218 1.00 0.00 H new ATOM 511 N ARG A 42 5.235 9.540 -0.593 1.00 0.00 N ATOM 512 CA ARG A 42 4.083 10.473 -0.675 1.00 0.00 C ATOM 513 C ARG A 42 2.993 9.855 -1.542 1.00 0.00 C ATOM 514 O ARG A 42 1.844 9.774 -1.154 1.00 0.00 O ATOM 515 CB ARG A 42 4.527 11.806 -1.290 1.00 0.00 C ATOM 516 CG ARG A 42 5.486 12.552 -0.330 1.00 0.00 C ATOM 517 CD ARG A 42 6.947 12.189 -0.633 1.00 0.00 C ATOM 518 NE ARG A 42 7.758 12.272 0.624 1.00 0.00 N ATOM 519 CZ ARG A 42 7.710 13.329 1.393 1.00 0.00 C ATOM 520 NH1 ARG A 42 7.117 14.418 0.989 1.00 0.00 N ATOM 521 NH2 ARG A 42 8.314 13.316 2.551 1.00 0.00 N ATOM 0 H ARG A 42 6.043 9.802 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 42 3.699 10.654 0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.024 11.626 -2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.655 12.426 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.345 13.628 -0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.248 12.294 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.003 11.183 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.352 12.867 -1.384 1.00 0.00 H new ATOM 0 HE ARG A 42 8.359 11.490 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.685 14.451 0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.085 15.237 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.821 12.484 2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.279 14.138 3.154 1.00 0.00 H new ATOM 535 N ILE A 43 3.345 9.430 -2.723 1.00 0.00 N ATOM 536 CA ILE A 43 2.331 8.832 -3.625 1.00 0.00 C ATOM 537 C ILE A 43 2.006 7.411 -3.162 1.00 0.00 C ATOM 538 O ILE A 43 0.896 6.945 -3.297 1.00 0.00 O ATOM 539 CB ILE A 43 2.870 8.796 -5.056 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.080 10.230 -5.552 1.00 0.00 C ATOM 541 CG2 ILE A 43 1.863 8.084 -5.964 1.00 0.00 C ATOM 542 CD1 ILE A 43 3.836 10.207 -6.881 1.00 0.00 C ATOM 0 H ILE A 43 4.292 9.472 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 43 1.425 9.437 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 43 3.818 8.259 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.118 10.727 -5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.640 10.803 -4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.247 8.058 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.709 7.065 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.915 8.621 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.985 11.228 -7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.804 9.727 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.258 9.650 -7.619 1.00 0.00 H new ATOM 554 N ALA A 44 2.967 6.718 -2.623 1.00 0.00 N ATOM 555 CA ALA A 44 2.713 5.327 -2.157 1.00 0.00 C ATOM 556 C ALA A 44 1.699 5.349 -1.009 1.00 0.00 C ATOM 557 O ALA A 44 0.645 4.749 -1.090 1.00 0.00 O ATOM 558 CB ALA A 44 4.040 4.712 -1.693 1.00 0.00 C ATOM 0 H ALA A 44 3.920 7.055 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 44 2.303 4.725 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.868 3.692 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.746 4.700 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.450 5.306 -0.876 1.00 0.00 H new ATOM 564 N ILE A 45 2.002 6.035 0.056 1.00 0.00 N ATOM 565 CA ILE A 45 1.050 6.091 1.198 1.00 0.00 C ATOM 566 C ILE A 45 -0.318 6.558 0.689 1.00 0.00 C ATOM 567 O ILE A 45 -1.349 6.106 1.146 1.00 0.00 O ATOM 568 CB ILE A 45 1.581 7.069 2.256 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.823 6.452 2.920 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.492 7.333 3.307 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.380 7.399 3.989 1.00 0.00 C ATOM 0 H ILE A 45 2.867 6.559 0.185 1.00 0.00 H new ATOM 0 HA ILE A 45 0.948 5.103 1.647 1.00 0.00 H new ATOM 0 HB ILE A 45 1.851 8.016 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.564 5.494 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.586 6.254 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.871 8.027 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.384 7.764 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.215 6.395 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.259 6.950 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.657 8.346 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.620 7.575 4.750 1.00 0.00 H new ATOM 583 N THR A 46 -0.336 7.460 -0.253 1.00 0.00 N ATOM 584 CA THR A 46 -1.635 7.954 -0.786 1.00 0.00 C ATOM 585 C THR A 46 -2.478 6.761 -1.257 1.00 0.00 C ATOM 586 O THR A 46 -3.630 6.626 -0.902 1.00 0.00 O ATOM 587 CB THR A 46 -1.354 8.929 -1.951 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.307 10.256 -1.445 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.444 8.842 -3.033 1.00 0.00 C ATOM 0 H THR A 46 0.493 7.876 -0.676 1.00 0.00 H new ATOM 0 HA THR A 46 -2.192 8.481 -0.011 1.00 0.00 H new ATOM 0 HB THR A 46 -0.401 8.655 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.380 10.492 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.215 9.541 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.480 7.828 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.410 9.095 -2.597 1.00 0.00 H new ATOM 597 N GLU A 47 -1.910 5.909 -2.062 1.00 0.00 N ATOM 598 CA GLU A 47 -2.668 4.733 -2.579 1.00 0.00 C ATOM 599 C GLU A 47 -3.103 3.853 -1.414 1.00 0.00 C ATOM 600 O GLU A 47 -4.201 3.333 -1.385 1.00 0.00 O ATOM 601 CB GLU A 47 -1.763 3.921 -3.502 1.00 0.00 C ATOM 602 CG GLU A 47 -1.223 4.815 -4.612 1.00 0.00 C ATOM 603 CD GLU A 47 -2.328 5.093 -5.634 1.00 0.00 C ATOM 604 OE1 GLU A 47 -2.587 4.223 -6.449 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.896 6.171 -5.583 1.00 0.00 O ATOM 0 H GLU A 47 -0.946 5.976 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.546 5.079 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.938 3.493 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.320 3.088 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.858 5.753 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.376 4.334 -5.100 1.00 0.00 H new ATOM 612 N ALA A 48 -2.248 3.681 -0.454 1.00 0.00 N ATOM 613 CA ALA A 48 -2.608 2.829 0.714 1.00 0.00 C ATOM 614 C ALA A 48 -3.910 3.347 1.330 1.00 0.00 C ATOM 615 O ALA A 48 -4.797 2.587 1.666 1.00 0.00 O ATOM 616 CB ALA A 48 -1.489 2.896 1.755 1.00 0.00 C ATOM 0 H ALA A 48 -1.315 4.091 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.741 1.797 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.750 2.273 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.560 2.535 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.359 3.927 2.083 1.00 0.00 H new ATOM 622 N ILE A 49 -4.031 4.636 1.479 1.00 0.00 N ATOM 623 CA ILE A 49 -5.274 5.210 2.070 1.00 0.00 C ATOM 624 C ILE A 49 -6.486 4.838 1.210 1.00 0.00 C ATOM 625 O ILE A 49 -7.510 4.422 1.716 1.00 0.00 O ATOM 626 CB ILE A 49 -5.143 6.734 2.150 1.00 0.00 C ATOM 627 CG1 ILE A 49 -4.110 7.081 3.221 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.492 7.358 2.525 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.744 8.562 3.120 1.00 0.00 C ATOM 0 H ILE A 49 -3.321 5.320 1.217 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.415 4.804 3.072 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.829 7.125 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.510 6.862 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.219 6.466 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.389 8.442 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.234 7.102 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.813 6.975 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.007 8.808 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.326 8.767 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.637 9.169 3.269 1.00 0.00 H new ATOM 641 N GLN A 50 -6.387 4.981 -0.083 1.00 0.00 N ATOM 642 CA GLN A 50 -7.548 4.631 -0.952 1.00 0.00 C ATOM 643 C GLN A 50 -7.895 3.165 -0.731 1.00 0.00 C ATOM 644 O GLN A 50 -9.048 2.788 -0.689 1.00 0.00 O ATOM 645 CB GLN A 50 -7.188 4.850 -2.426 1.00 0.00 C ATOM 646 CG GLN A 50 -6.451 6.178 -2.583 1.00 0.00 C ATOM 647 CD GLN A 50 -6.447 6.594 -4.057 1.00 0.00 C ATOM 648 OE1 GLN A 50 -5.433 7.014 -4.578 1.00 0.00 O ATOM 649 NE2 GLN A 50 -7.545 6.495 -4.752 1.00 0.00 N ATOM 0 H GLN A 50 -5.560 5.322 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.398 5.265 -0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.563 4.032 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.092 4.850 -3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.934 6.947 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.428 6.083 -2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.396 6.142 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.553 6.770 -5.734 1.00 0.00 H new ATOM 658 N ALA A 51 -6.902 2.338 -0.576 1.00 0.00 N ATOM 659 CA ALA A 51 -7.170 0.895 -0.343 1.00 0.00 C ATOM 660 C ALA A 51 -7.928 0.751 0.975 1.00 0.00 C ATOM 661 O ALA A 51 -8.831 -0.049 1.102 1.00 0.00 O ATOM 662 CB ALA A 51 -5.847 0.129 -0.269 1.00 0.00 C ATOM 0 H ALA A 51 -5.916 2.599 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.764 0.487 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.048 -0.929 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.305 0.248 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.245 0.521 0.551 1.00 0.00 H new ATOM 668 N ASN A 52 -7.570 1.535 1.955 1.00 0.00 N ATOM 669 CA ASN A 52 -8.273 1.460 3.261 1.00 0.00 C ATOM 670 C ASN A 52 -9.701 1.991 3.101 1.00 0.00 C ATOM 671 O ASN A 52 -10.638 1.465 3.667 1.00 0.00 O ATOM 672 CB ASN A 52 -7.521 2.311 4.286 1.00 0.00 C ATOM 673 CG ASN A 52 -6.312 1.536 4.820 1.00 0.00 C ATOM 674 OD1 ASN A 52 -6.422 0.373 5.154 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.158 2.136 4.916 1.00 0.00 N ATOM 0 H ASN A 52 -6.820 2.224 1.905 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.309 0.425 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.192 3.243 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.185 2.577 5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.348 1.629 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.066 3.112 4.636 1.00 0.00 H new ATOM 682 N ILE A 53 -9.871 3.030 2.330 1.00 0.00 N ATOM 683 CA ILE A 53 -11.235 3.592 2.132 1.00 0.00 C ATOM 684 C ILE A 53 -12.043 2.619 1.281 1.00 0.00 C ATOM 685 O ILE A 53 -13.255 2.554 1.364 1.00 0.00 O ATOM 686 CB ILE A 53 -11.139 4.943 1.421 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.346 5.921 2.294 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.546 5.497 1.187 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.002 7.171 1.482 1.00 0.00 C ATOM 0 H ILE A 53 -9.125 3.513 1.830 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.722 3.736 3.097 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.634 4.816 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.930 6.195 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.433 5.446 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.478 6.460 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.113 4.801 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.050 5.626 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.438 7.866 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.402 6.889 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.921 7.650 1.145 1.00 0.00 H new ATOM 701 N GLU A 54 -11.373 1.849 0.471 1.00 0.00 N ATOM 702 CA GLU A 54 -12.082 0.860 -0.381 1.00 0.00 C ATOM 703 C GLU A 54 -12.674 -0.208 0.540 1.00 0.00 C ATOM 704 O GLU A 54 -13.724 -0.764 0.285 1.00 0.00 O ATOM 705 CB GLU A 54 -11.062 0.256 -1.384 1.00 0.00 C ATOM 706 CG GLU A 54 -10.764 -1.226 -1.097 1.00 0.00 C ATOM 707 CD GLU A 54 -9.689 -1.724 -2.065 1.00 0.00 C ATOM 708 OE1 GLU A 54 -9.483 -1.074 -3.077 1.00 0.00 O ATOM 709 OE2 GLU A 54 -9.090 -2.748 -1.778 1.00 0.00 O ATOM 0 H GLU A 54 -10.359 1.864 0.363 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.890 1.316 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.451 0.356 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.134 0.825 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.427 -1.348 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.672 -1.819 -1.208 1.00 0.00 H new ATOM 716 N LEU A 55 -11.990 -0.491 1.610 1.00 0.00 N ATOM 717 CA LEU A 55 -12.486 -1.522 2.565 1.00 0.00 C ATOM 718 C LEU A 55 -13.878 -1.105 3.062 1.00 0.00 C ATOM 719 O LEU A 55 -14.701 -1.934 3.395 1.00 0.00 O ATOM 720 CB LEU A 55 -11.489 -1.631 3.750 1.00 0.00 C ATOM 721 CG LEU A 55 -10.903 -3.055 3.871 1.00 0.00 C ATOM 722 CD1 LEU A 55 -12.017 -4.066 4.200 1.00 0.00 C ATOM 723 CD2 LEU A 55 -10.185 -3.456 2.562 1.00 0.00 C ATOM 0 H LEU A 55 -11.106 -0.052 1.867 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.561 -2.495 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.679 -0.914 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.995 -1.365 4.678 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.175 -3.062 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.589 -5.065 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.488 -3.794 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.764 -4.055 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.778 -4.462 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.896 -3.434 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.375 -2.755 2.362 1.00 0.00 H new ATOM 735 N PHE A 56 -14.143 0.178 3.109 1.00 0.00 N ATOM 736 CA PHE A 56 -15.477 0.669 3.579 1.00 0.00 C ATOM 737 C PHE A 56 -16.270 1.207 2.386 1.00 0.00 C ATOM 738 O PHE A 56 -17.324 1.791 2.541 1.00 0.00 O ATOM 739 CB PHE A 56 -15.268 1.792 4.596 1.00 0.00 C ATOM 740 CG PHE A 56 -14.332 1.311 5.683 1.00 0.00 C ATOM 741 CD1 PHE A 56 -14.705 0.238 6.501 1.00 0.00 C ATOM 742 CD2 PHE A 56 -13.090 1.935 5.872 1.00 0.00 C ATOM 743 CE1 PHE A 56 -13.840 -0.211 7.507 1.00 0.00 C ATOM 744 CE2 PHE A 56 -12.226 1.486 6.878 1.00 0.00 C ATOM 745 CZ PHE A 56 -12.601 0.413 7.695 1.00 0.00 C ATOM 0 H PHE A 56 -13.487 0.912 2.840 1.00 0.00 H new ATOM 0 HA PHE A 56 -16.027 -0.150 4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.852 2.671 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -16.223 2.090 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -15.661 -0.244 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -12.800 2.762 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -14.129 -1.039 8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.270 1.967 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.934 0.066 8.471 1.00 0.00 H new ATOM 755 N SER A 57 -15.771 1.015 1.194 1.00 0.00 N ATOM 756 CA SER A 57 -16.493 1.514 -0.013 1.00 0.00 C ATOM 757 C SER A 57 -16.150 0.628 -1.212 1.00 0.00 C ATOM 758 O SER A 57 -15.392 1.010 -2.080 1.00 0.00 O ATOM 759 CB SER A 57 -16.066 2.952 -0.305 1.00 0.00 C ATOM 760 OG SER A 57 -14.689 2.969 -0.658 1.00 0.00 O ATOM 0 H SER A 57 -14.892 0.533 1.004 1.00 0.00 H new ATOM 0 HA SER A 57 -17.568 1.484 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.667 3.365 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.237 3.579 0.570 1.00 0.00 H new ATOM 0 HG SER A 57 -14.143 2.951 0.155 1.00 0.00 H new ATOM 766 N GLY A 58 -16.704 -0.551 -1.265 1.00 0.00 N ATOM 767 CA GLY A 58 -16.411 -1.460 -2.409 1.00 0.00 C ATOM 768 C GLY A 58 -17.359 -2.660 -2.366 1.00 0.00 C ATOM 769 O GLY A 58 -17.112 -3.635 -1.684 1.00 0.00 O ATOM 0 H GLY A 58 -17.347 -0.925 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.528 -0.925 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.376 -1.799 -2.361 1.00 0.00 H new ATOM 773 N HIS A 59 -18.444 -2.597 -3.090 1.00 0.00 N ATOM 774 CA HIS A 59 -19.407 -3.734 -3.090 1.00 0.00 C ATOM 775 C HIS A 59 -18.742 -4.967 -3.706 1.00 0.00 C ATOM 776 O HIS A 59 -17.689 -4.881 -4.306 1.00 0.00 O ATOM 777 CB HIS A 59 -20.641 -3.356 -3.914 1.00 0.00 C ATOM 778 CG HIS A 59 -21.306 -2.156 -3.300 1.00 0.00 C ATOM 779 ND1 HIS A 59 -21.104 -0.872 -3.781 1.00 0.00 N ATOM 780 CD2 HIS A 59 -22.173 -2.028 -2.243 1.00 0.00 C ATOM 781 CE1 HIS A 59 -21.832 -0.034 -3.021 1.00 0.00 C ATOM 782 NE2 HIS A 59 -22.503 -0.687 -2.068 1.00 0.00 N ATOM 0 H HIS A 59 -18.704 -1.807 -3.681 1.00 0.00 H new ATOM 0 HA HIS A 59 -19.706 -3.956 -2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.352 -3.138 -4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -21.338 -4.193 -3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.543 -2.844 -1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.869 1.036 -3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.124 -0.289 -1.364 1.00 0.00 H new TER 790 HIS A 59